GPCRdb

CHEMBL4596196

Agent/drug
Bioactivity

CHEMBL4596196

SMILES	CCOc1ccc(CN2CCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
InChIKey	ZCQITOMFELBCHI-QHCPKHFHSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	3
Rotatable bonds	9
Molecular weight (Da)	425.3

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	7.35	7.35	7.35	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	6.37	6.37	6.37	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.82	7.82	7.82	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	5.87	5.87	5.87	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.78	6.78	6.78	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4596196

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.